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4195-89-5 | 2,5,5-trimethyl-4,5-dihydro-1,3-oxazole
CAS No: 4195-89-5 Catalog No: AG007434 MDL No:
Product Description
Catalog Number:
AG007434
Chemical Name:
2,5,5-trimethyl-4,5-dihydro-1,3-oxazole
CAS Number:
4195-89-5
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
2,5,5-trimethyl-4H-1,3-oxazole
InChI:
InChI=1S/C6H11NO/c1-5-7-4-6(2,3)8-5/h4H2,1-3H3
InChI Key:
XXIYMLVQHMYCHS-UHFFFAOYSA-N
SMILES:
CC1=NCC(O1)(C)C
NSC Number:
160546
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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